6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C12H13BrClN3O2 — CID 118598570

IUPAC6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C12H13BrClN3O2/c1-16-4-2-12(3-5-16)15-10(18)9-8(14)6-7(13)11(19)17(9)12/h6H,2-5H2,1H3,(H,15,18)
InChIKeyJLPFEIPSGOKRMM-UHFFFAOYSA-N
MW346.61 g/mol
LogP1.39
Rot. Bonds

About 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118598570) has the molecular formula C12H13BrClN3O2 and a molecular weight of 346.61 g/mol. Its IUPAC name is 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118598570
Molecular FormulaC12H13BrClN3O2
Molecular Weight346.61 g/mol
Exact Mass344.99
IUPAC Name6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C12H13BrClN3O2/c1-16-4-2-12(3-5-16)15-10(18)9-8(14)6-7(13)11(19)17(9)12/h6H,2-5H2,1H3,(H,15,18)
InChIKeyJLPFEIPSGOKRMM-UHFFFAOYSA-N
XLogP1.39
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione with MolForge

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Related Compounds

6-bromo-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598638
6-bromo-8-chloro-2'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598982
6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599036
6-bromo-8-chloro-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599108
6-bromo-1'-tert-butyl-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 161071285
6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 150668848
6-Bromo-8-chloro-3,3-dimethyl-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118598687
6-bromo-8-chloro-4'-(methylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598714
3-(6-bromo-8-chloro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)propanenitrile
CID 118598732
6-bromo-8-chloro-2H-spiro[imidazo[1,5-a]pyridine-3,6'-[1,4]diazepane]-1,5-dione
CID 118598739
6'-Bromo-8'-chloro-1'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'(2'H)-dione
CID 118598748
6-bromo-8-chloro-3,3-dipropyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598763

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118598570) is 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is JLPFEIPSGOKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2/c1-16-4-2-12(3-5-16)15-10(18)9-8(14)6-7(13)11(19)17(9)12/h6H,2-5H2,1H3,(H,15,18).
What are the key properties of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 346.61 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118598570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).